3-[(4-fluoranyl-3-nitro-phenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(4-fluoranyl-3-nitro-phenyl)sulfonylamino]propanoic acid Openeye Name: 3-[(4-fluoro-3-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 3-[(4-fluoro-3-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(4-fluoro-3-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(4-fluoro-3-nitro-phenyl)sulfonylamino]propionic acid Formula: C9H9FN2O6S MolecularWeight: 292.240963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCCC(=O)O)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCC(=O)O)[N+](=O)[O-])F

InChI

InChI=1S/C9H9FN2O6S/c10-7-2-1-6(5-8(7)12(15)16)19(17,18)11-4-3-9(13)14/h1-2,5,11H,3-4H2,(H,13,14)